Compound Identification
SMILES
OCC1=CC=C(C=C1)C1CC(CSC2=CC=C(C=C2)C(O)=O)OC(O1)C1=CC=C(C=C1)C1=CC(CNC(=O)C2=CN=CC=C2)=CC=C1
InChIKey
InChIKey=CVWWXEMOOBKBDR-UHFFFAOYSA-N
Formula
C38H34N2O6S
Mass
646.76
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Sulfanylbenzoic acids and derivatives
-
Level 6
P-sulfanylbenzoic acids and derivatives
- Level 7 P-sulfanylbenzoic acids
-
Level 6
P-sulfanylbenzoic acids and derivatives
-
Level 5
Sulfanylbenzoic acids and derivatives
-
Subclass
Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Sulfanylbenzoic acids and derivatives - P-sulfanylbenzoic acids and derivatives
Direct Parent
P-sulfanylbenzoic acids
Alternative Parents
Nicotinamides Benzoic acids Thiophenol ethers Benzyl alcohols Benzoyl derivatives Hydroxypyridines Hydroxy fatty acids Heterocyclic fatty acids Branched fatty acids Alkylarylthioethers Unsaturated fatty acids N-acyl amines 1,3-dioxanes Heteroaromatic compounds Thioenol ethers Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Carboxylic acid amides Azacyclic compounds Aldimines Organopnictogen compounds Organic oxides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
P-sulfanylbenzoic acid - Pyridine carboxylic acid or derivatives - Nicotinamide - Benzoic acid - Aryl thioether - Thiophenol ether - Benzyl alcohol - Benzoyl - Hydroxypyridine - Alkylarylthioether - Hydroxy fatty acid - Heterocyclic fatty acid - Branched fatty acid - Fatty acyl - Fatty acid - Unsaturated fatty acid - Pyridine - N-acyl-amine - Meta-dioxane - Heteroaromatic compound - Thioenolether - Carboxamide group - Oxacycle - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Thioether - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Aldimine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Imine - Alcohol - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as p-sulfanylbenzoic acids. These are benzoic acids which bear a sulfanyl group (R-SH) attached to the benzene ring at positions 1 and 4, respectively.
External Descriptors
Not available